ChemSpider 2D Image | Methyl [(5-carbamoyl-3-chloro-2-pyridinyl)sulfanyl]acetate | C9H9ClN2O3S

Methyl [(5-carbamoyl-3-chloro-2-pyridinyl)sulfanyl]acetate

  • Molecular FormulaC9H9ClN2O3S
  • Average mass260.697 Da
  • Monoisotopic mass260.002228 Da
  • ChemSpider ID65073799

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(5-Carbamoyl-3-chloro-2-pyridinyl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-(aminocarbonyl)-3-chloro-2-pyridinyl]thio]-, methyl ester [ACD/Index Name]
Methyl [(5-carbamoyl-3-chloro-2-pyridinyl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(5-carbamoyl-3-chlor-2-pyridinyl)sulfanyl]acetat [German] [ACD/IUPAC Name]
METHYL 2-[(5-CARBAMOYL-3-CHLOROPYRIDIN-2-YL)SULFANYL]ACETATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 377.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 182.2±27.9 °C
Index of Refraction: 1.609
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.35
ACD/KOC (pH 5.5): 82.76
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.35
ACD/KOC (pH 7.4): 82.76
Polar Surface Area: 108 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 177.6±5.0 cm3

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